2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one

C12H15ClO2 — CID 82267769

IUPAC2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one
SMILESCCc1ccc(OC)c(C(=O)C(C)Cl)c1
InChIInChI=1S/C12H15ClO2/c1-4-9-5-6-11(15-3)10(7-9)12(14)8(2)13/h5-8H,4H2,1-3H3
InChIKeyJPVLACOBZNNXEG-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.07
Rot. Bonds4

About 2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one

2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one (PubChem CID 82267769) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one
PubChem CID82267769
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one
SMILESCCc1ccc(OC)c(C(=O)C(C)Cl)c1
InChIInChI=1S/C12H15ClO2/c1-4-9-5-6-11(15-3)10(7-9)12(14)8(2)13/h5-8H,4H2,1-3H3
InChIKeyJPVLACOBZNNXEG-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 5-ethyl-2-methoxybenzoate
CID 82551716
5-ethyl-2-methoxybenzoic acid
CID 20721149
5-ethyl-2-methoxy-N-propan-2-ylbenzamide
CID 110761959
1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one
CID 112512244
1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one
CID 130983756
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid
CID 70453795
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 116915679
1-(5-bromo-2,4-dimethoxyphenyl)-2-chloropropan-1-one
CID 82050583
2-chloro-1-(2,5-dimethoxyphenyl)butan-1-one
CID 82254816

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one?
The IUPAC name of 2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one (CID 82267769) is 2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one is CCc1ccc(OC)c(C(=O)C(C)Cl)c1.
What is the InChIKey of 2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one?
The InChIKey is JPVLACOBZNNXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-4-9-5-6-11(15-3)10(7-9)12(14)8(2)13/h5-8H,4H2,1-3H3.
What are the key properties of 2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one?
2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one has a molecular weight of 226.70 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 82267769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).